CID 69485

Stearic anhydride

Structural Information

Molecular Formula
C36H70O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey
WVJVHUWVQNLPCR-UHFFFAOYSA-N
Compound name
octadecanoyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6293
Patents

550.5325 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.53978 254.5
[M+Na]+ 573.52172 255.4
[M+NH4]+ 568.56632 254.1
[M+K]+ 589.49566 254.6
[M-H]- 549.52522 237.3
[M+Na-2H]- 571.50717 252.9
[M]+ 550.53195 249.9
[M]- 550.53305 249.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe